data_34045 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution NMR structure of the X domain of Peste des Petits Ruminants phosphoprotein ; _BMRB_accession_number 34045 _BMRB_flat_file_name bmr34045.str _Entry_type original _Submission_date 2016-09-21 _Accession_date 2016-09-21 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Pereira N. . . 2 Piuzzi M. . . 3 Bontems F. . . 4 Eleouet J. . . 5 Sizun C. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 610 "13C chemical shifts" 440 "15N chemical shifts" 53 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-10-19 original BMRB . stop_ _Original_release_date 2017-10-17 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the X domain of Peste des Petits Ruminants Virus phosphoprotein and interaction with the nucleoprotein ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Pereira N. . . 2 Basbous N. . . 3 Piuzzi M. . . 4 Bontems F. . . 5 Eleouet J. . . 6 Sizun C. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Phosphoprotein _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 5964.977 _Mol_thiol_state 'not present' _Details ; This peptide contains residues S459-P509. The two N-terminal GS residues are left from an N-terminal GST-tag cleaved with thrombin. ; ############################## # Polymer residue sequence # ############################## _Residue_count 53 _Mol_residue_sequence ; GSSSRSVIRSIIKSSKLNID HKDYLLDLLNDVKGSKDLKE FHKMLTAILAKQP ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 457 GLY 2 458 SER 3 459 SER 4 460 SER 5 461 ARG 6 462 SER 7 463 VAL 8 464 ILE 9 465 ARG 10 466 SER 11 467 ILE 12 468 ILE 13 469 LYS 14 470 SER 15 471 SER 16 472 LYS 17 473 LEU 18 474 ASN 19 475 ILE 20 476 ASP 21 477 HIS 22 478 LYS 23 479 ASP 24 480 TYR 25 481 LEU 26 482 LEU 27 483 ASP 28 484 LEU 29 485 LEU 30 486 ASN 31 487 ASP 32 488 VAL 33 489 LYS 34 490 GLY 35 491 SER 36 492 LYS 37 493 ASP 38 494 LEU 39 495 LYS 40 496 GLU 41 497 PHE 42 498 HIS 43 499 LYS 44 500 MET 45 501 LEU 46 502 THR 47 503 ALA 48 504 ILE 49 505 LEU 50 506 ALA 51 507 LYS 52 508 GLN 53 509 PRO stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 'Small ruminant morbillivirus' 31604 Viruses . Morbillivirus 'Small ruminant morbillivirus' stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity_1 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '200 uM [U-13C; U-15N] PPRV_PXD, 20 mM sodium phosphate, 300 mM sodium chloride, 93% H2O/7% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 200 uM '[U-13C; U-15N]' 'sodium chloride' 300 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '200 uM [U-13C; U-15N] PPRV_PXD, 20 mM sodium phosphate, 300 mM sodium chloride, 100% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 200 uM '[U-13C; U-15N]' 'sodium chloride' 300 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name Analysis _Version 2.2.2 loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name CYANA _Version 3.97 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name TOPSPIN _Version 2.2.2 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_4 _Saveframe_category software _Name Talos+ _Version . loop_ _Vendor _Address _Electronic_address 'Yang Shen, NIDDK' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 800 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 950 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(COCA)CB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)CB' _Sample_label $sample_1 save_ save_2D_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_aliphatic_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_aliphatic_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_2 save_ save_2D_NOESY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 300 30 mM pH 7.4 . pH pressure 1 . bar temperature 288.0 0.2 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio _Reference_correction_type DSS C 13 'methyl protons' ppm 0.000 external indirect . . . 0.25144953 . DSS H 1 'methyl protons' ppm 0.000 internal direct . . . 1.0 temperature DSS N 15 'methyl protons' ppm 0.000 external indirect . . . 0.10132912 . stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCA' '3D HNCACB' '3D HN(COCA)CB' '2D NOESY' '3D HBHA(CO)NH' '3D HN(CO)CA' '3D 1H-15N NOESY' '3D HCCH-TOCSY' '2D 1H-13C HSQC aliphatic' '3D 1H-13C NOESY aliphatic' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 457 1 GLY HA2 H 3.91 0.02 1 2 457 1 GLY HA3 H 3.91 0.02 1 3 457 1 GLY CA C 43.07 0.25 1 4 458 2 SER HA H 4.55 0.02 1 5 458 2 SER HB2 H 3.90 0.02 2 6 458 2 SER HB3 H 3.85 0.02 2 7 458 2 SER CA C 58.15 0.25 1 8 458 2 SER CB C 63.75 0.25 1 9 459 3 SER HA H 4.60 0.02 1 10 459 3 SER HB2 H 3.87 0.02 2 11 459 3 SER HB3 H 3.88 0.02 2 12 459 3 SER CA C 57.53 0.25 1 13 459 3 SER CB C 63.26 0.25 1 14 460 4 SER HA H 4.45 0.02 1 15 460 4 SER HB2 H 4.13 0.02 2 16 460 4 SER HB3 H 3.93 0.02 2 17 460 4 SER CA C 57.68 0.25 1 18 460 4 SER CB C 63.78 0.25 1 19 461 5 ARG HA H 3.72 0.02 1 20 461 5 ARG HB2 H 1.89 0.02 2 21 461 5 ARG HB3 H 1.80 0.02 2 22 461 5 ARG HG2 H 1.52 0.02 2 23 461 5 ARG HG3 H 1.43 0.02 2 24 461 5 ARG HD2 H 3.41 0.02 2 25 461 5 ARG HD3 H 3.13 0.02 2 26 461 5 ARG CA C 60.38 0.25 1 27 461 5 ARG CB C 30.32 0.25 1 28 461 5 ARG CG C 27.43 0.25 1 29 461 5 ARG CD C 42.66 0.25 1 30 462 6 SER HA H 4.08 0.02 1 31 462 6 SER HB2 H 3.91 0.02 2 32 462 6 SER HB3 H 3.91 0.02 2 33 462 6 SER CA C 61.35 0.25 1 34 462 6 SER CB C 62.06 0.25 1 35 463 7 VAL HA H 3.70 0.02 1 36 463 7 VAL HB H 2.18 0.02 1 37 463 7 VAL HG1 H 1.04 0.02 2 38 463 7 VAL HG2 H 0.94 0.02 2 39 463 7 VAL CA C 66.04 0.25 1 40 463 7 VAL CB C 31.55 0.25 1 41 463 7 VAL CG1 C 22.82 0.25 2 42 463 7 VAL CG2 C 20.52 0.25 2 43 464 8 ILE HA H 3.40 0.02 1 44 464 8 ILE HB H 1.76 0.02 1 45 464 8 ILE HG12 H 1.75 0.02 2 46 464 8 ILE HG13 H 0.48 0.02 2 47 464 8 ILE HG2 H 1.00 0.02 1 48 464 8 ILE HD1 H 0.81 0.02 1 49 464 8 ILE CA C 65.64 0.25 1 50 464 8 ILE CB C 37.59 0.25 1 51 464 8 ILE CG1 C 29.70 0.25 1 52 464 8 ILE CG2 C 19.62 0.25 1 53 464 8 ILE CD1 C 14.77 0.25 1 54 465 9 ARG HA H 3.67 0.02 1 55 465 9 ARG HB2 H 1.85 0.02 2 56 465 9 ARG HB3 H 1.84 0.02 2 57 465 9 ARG HG2 H 1.45 0.02 2 58 465 9 ARG HG3 H 1.66 0.02 2 59 465 9 ARG HD2 H 3.20 0.02 2 60 465 9 ARG HD3 H 3.23 0.02 2 61 465 9 ARG CA C 60.46 0.25 1 62 465 9 ARG CB C 29.94 0.25 1 63 465 9 ARG CG C 28.32 0.25 1 64 465 9 ARG CD C 43.01 0.25 1 65 466 10 SER HA H 4.25 0.02 1 66 466 10 SER HB2 H 4.06 0.02 2 67 466 10 SER HB3 H 4.06 0.02 2 68 466 10 SER CA C 61.51 0.25 1 69 466 10 SER CB C 62.55 0.25 1 70 467 11 ILE HA H 3.70 0.02 1 71 467 11 ILE HB H 2.03 0.02 1 72 467 11 ILE HG12 H 1.04 0.02 2 73 467 11 ILE HG13 H 1.88 0.02 2 74 467 11 ILE HG2 H 0.87 0.02 1 75 467 11 ILE HD1 H 0.83 0.02 1 76 467 11 ILE CA C 65.01 0.25 1 77 467 11 ILE CB C 37.80 0.25 1 78 467 11 ILE CG1 C 28.45 0.25 1 79 467 11 ILE CG2 C 17.71 0.25 1 80 467 11 ILE CD1 C 14.05 0.25 1 81 468 12 ILE HA H 3.39 0.02 1 82 468 12 ILE HB H 2.02 0.02 1 83 468 12 ILE HG12 H 2.12 0.02 2 84 468 12 ILE HG13 H 0.83 0.02 2 85 468 12 ILE HG2 H 0.92 0.02 1 86 468 12 ILE HD1 H 0.98 0.02 1 87 468 12 ILE CA C 66.69 0.25 1 88 468 12 ILE CB C 38.59 0.25 1 89 468 12 ILE CG1 C 30.36 0.25 1 90 468 12 ILE CG2 C 18.12 0.25 1 91 468 12 ILE CD1 C 14.85 0.25 1 92 469 13 LYS HA H 3.91 0.02 1 93 469 13 LYS HB2 H 1.93 0.02 2 94 469 13 LYS HB3 H 1.99 0.02 2 95 469 13 LYS HG2 H 1.53 0.02 2 96 469 13 LYS HG3 H 1.76 0.02 2 97 469 13 LYS HD2 H 1.73 0.02 2 98 469 13 LYS HD3 H 1.69 0.02 2 99 469 13 LYS HE2 H 2.94 0.02 2 100 469 13 LYS HE3 H 2.95 0.02 2 101 469 13 LYS CA C 60.45 0.25 1 102 469 13 LYS CB C 32.11 0.25 1 103 469 13 LYS CG C 26.06 0.25 1 104 469 13 LYS CD C 28.91 0.25 1 105 469 13 LYS CE C 41.45 0.25 1 106 470 14 SER HA H 4.55 0.02 1 107 470 14 SER HB2 H 4.06 0.02 2 108 470 14 SER HB3 H 4.00 0.02 2 109 470 14 SER CA C 58.95 0.25 1 110 470 14 SER CB C 63.48 0.25 1 111 471 15 SER HA H 4.47 0.02 1 112 471 15 SER HB2 H 4.39 0.02 2 113 471 15 SER HB3 H 4.22 0.02 2 114 471 15 SER CA C 59.32 0.25 1 115 471 15 SER CB C 65.16 0.25 1 116 472 16 LYS HA H 4.57 0.02 1 117 472 16 LYS HB2 H 2.14 0.02 2 118 472 16 LYS HB3 H 1.73 0.02 2 119 472 16 LYS HG2 H 1.57 0.02 2 120 472 16 LYS HG3 H 1.50 0.02 2 121 472 16 LYS HD2 H 1.74 0.02 2 122 472 16 LYS HD3 H 1.72 0.02 2 123 472 16 LYS HE2 H 3.03 0.02 2 124 472 16 LYS HE3 H 3.04 0.02 2 125 472 16 LYS CA C 55.02 0.25 1 126 472 16 LYS CB C 31.21 0.25 1 127 472 16 LYS CG C 24.73 0.25 1 128 472 16 LYS CD C 28.77 0.25 1 129 472 16 LYS CE C 41.69 0.25 1 130 473 17 LEU HA H 4.26 0.02 1 131 473 17 LEU HB2 H 1.49 0.02 2 132 473 17 LEU HB3 H 1.50 0.02 2 133 473 17 LEU HG H 1.65 0.02 1 134 473 17 LEU HD1 H 0.77 0.02 2 135 473 17 LEU HD2 H 0.44 0.02 2 136 473 17 LEU CA C 54.48 0.25 1 137 473 17 LEU CB C 42.61 0.25 1 138 473 17 LEU CG C 26.60 0.25 1 139 473 17 LEU CD1 C 21.43 0.25 2 140 473 17 LEU CD2 C 25.21 0.25 2 141 474 18 ASN HA H 4.64 0.02 1 142 474 18 ASN HB2 H 2.95 0.02 2 143 474 18 ASN HB3 H 3.08 0.02 2 144 474 18 ASN CA C 53.20 0.25 1 145 474 18 ASN CB C 38.81 0.25 1 146 475 19 ILE HA H 3.79 0.02 1 147 475 19 ILE HB H 1.96 0.02 1 148 475 19 ILE HG12 H 1.61 0.02 2 149 475 19 ILE HG13 H 1.38 0.02 2 150 475 19 ILE HG2 H 1.03 0.02 1 151 475 19 ILE HD1 H 0.98 0.02 1 152 475 19 ILE CA C 64.33 0.25 1 153 475 19 ILE CB C 37.89 0.25 1 154 475 19 ILE CG1 C 28.44 0.25 1 155 475 19 ILE CG2 C 17.30 0.25 1 156 475 19 ILE CD1 C 13.50 0.25 1 157 476 20 ASP HA H 4.50 0.02 1 158 476 20 ASP HB2 H 2.65 0.02 2 159 476 20 ASP HB3 H 2.72 0.02 2 160 476 20 ASP CA C 56.69 0.25 1 161 476 20 ASP CB C 39.39 0.25 1 162 477 21 HIS HA H 4.75 0.02 1 163 477 21 HIS HB2 H 3.17 0.02 2 164 477 21 HIS HB3 H 3.43 0.02 2 165 477 21 HIS HD2 H 7.16 0.02 1 166 477 21 HIS HE1 H 7.82 0.02 1 167 477 21 HIS CA C 56.84 0.25 1 168 477 21 HIS CB C 32.01 0.25 1 169 477 21 HIS CD2 C 117.51 0.25 1 170 477 21 HIS CE1 C 137.77 0.25 1 171 478 22 LYS HA H 3.63 0.02 1 172 478 22 LYS HB2 H 2.13 0.02 2 173 478 22 LYS HB3 H 1.60 0.02 2 174 478 22 LYS HG2 H 1.02 0.02 2 175 478 22 LYS HG3 H 1.50 0.02 2 176 478 22 LYS HD2 H 1.65 0.02 2 177 478 22 LYS HD3 H 1.59 0.02 2 178 478 22 LYS HE2 H 3.13 0.02 2 179 478 22 LYS HE3 H 3.17 0.02 2 180 478 22 LYS CA C 61.13 0.25 1 181 478 22 LYS CB C 33.07 0.25 1 182 478 22 LYS CG C 26.90 0.25 1 183 478 22 LYS CD C 30.63 0.25 1 184 478 22 LYS CE C 41.76 0.25 1 185 479 23 ASP HA H 4.41 0.02 1 186 479 23 ASP HB2 H 2.80 0.02 2 187 479 23 ASP HB3 H 2.72 0.02 2 188 479 23 ASP CA C 57.57 0.25 1 189 479 23 ASP CB C 39.75 0.25 1 190 480 24 TYR HA H 4.44 0.02 1 191 480 24 TYR HB2 H 3.40 0.02 2 192 480 24 TYR HB3 H 3.38 0.02 2 193 480 24 TYR HD1 H 7.20 0.02 3 194 480 24 TYR HD2 H 7.20 0.02 3 195 480 24 TYR HE1 H 6.86 0.02 3 196 480 24 TYR HE2 H 6.86 0.02 3 197 480 24 TYR CA C 60.70 0.25 1 198 480 24 TYR CB C 38.26 0.25 1 199 480 24 TYR CD1 C 133.10 0.25 3 200 480 24 TYR CD2 C 133.10 0.25 3 201 480 24 TYR CE1 C 118.09 0.25 3 202 480 24 TYR CE2 C 118.09 0.25 3 203 481 25 LEU HA H 4.00 0.02 1 204 481 25 LEU HB2 H 2.16 0.02 2 205 481 25 LEU HB3 H 1.36 0.02 2 206 481 25 LEU HG H 2.07 0.02 1 207 481 25 LEU HD1 H 0.58 0.02 2 208 481 25 LEU HD2 H 0.89 0.02 2 209 481 25 LEU CA C 57.73 0.25 1 210 481 25 LEU CB C 42.71 0.25 1 211 481 25 LEU CG C 27.08 0.25 1 212 481 25 LEU CD1 C 26.51 0.25 2 213 481 25 LEU CD2 C 22.40 0.25 2 214 482 26 LEU HA H 3.96 0.02 1 215 482 26 LEU HB2 H 2.04 0.02 2 216 482 26 LEU HB3 H 1.45 0.02 2 217 482 26 LEU HG H 1.96 0.02 1 218 482 26 LEU HD1 H 0.94 0.02 2 219 482 26 LEU HD2 H 0.93 0.02 2 220 482 26 LEU CA C 57.73 0.25 1 221 482 26 LEU CB C 40.75 0.25 1 222 482 26 LEU CG C 27.11 0.25 1 223 482 26 LEU CD1 C 24.00 0.25 2 224 482 26 LEU CD2 C 25.62 0.25 2 225 483 27 ASP HA H 4.42 0.02 1 226 483 27 ASP HB2 H 2.84 0.02 2 227 483 27 ASP HB3 H 2.67 0.02 2 228 483 27 ASP CA C 57.03 0.25 1 229 483 27 ASP CB C 40.22 0.25 1 230 484 28 LEU HA H 4.01 0.02 1 231 484 28 LEU HB2 H 1.91 0.02 2 232 484 28 LEU HB3 H 1.59 0.02 2 233 484 28 LEU HG H 1.50 0.02 1 234 484 28 LEU HD1 H 0.83 0.02 2 235 484 28 LEU HD2 H 0.81 0.02 2 236 484 28 LEU CA C 57.54 0.25 1 237 484 28 LEU CB C 42.22 0.25 1 238 484 28 LEU CG C 26.16 0.25 1 239 484 28 LEU CD1 C 22.98 0.25 2 240 484 28 LEU CD2 C 24.90 0.25 2 241 485 29 LEU HA H 3.25 0.02 1 242 485 29 LEU HB2 H 1.87 0.02 2 243 485 29 LEU HB3 H 1.09 0.02 2 244 485 29 LEU HG H 1.35 0.02 1 245 485 29 LEU HD1 H 0.27 0.02 2 246 485 29 LEU HD2 H 0.75 0.02 2 247 485 29 LEU CA C 56.62 0.25 1 248 485 29 LEU CB C 40.73 0.25 1 249 485 29 LEU CG C 26.23 0.25 1 250 485 29 LEU CD1 C 21.94 0.25 2 251 485 29 LEU CD2 C 26.09 0.25 2 252 486 30 ASN HA H 4.35 0.02 1 253 486 30 ASN HB2 H 2.88 0.02 2 254 486 30 ASN HB3 H 2.89 0.02 2 255 486 30 ASN CA C 55.10 0.25 1 256 486 30 ASN CB C 38.18 0.25 1 257 487 31 ASP HA H 4.77 0.02 1 258 487 31 ASP HB2 H 2.86 0.02 2 259 487 31 ASP HB3 H 2.60 0.02 2 260 487 31 ASP CA C 54.04 0.25 1 261 487 31 ASP CB C 41.64 0.25 1 262 488 32 VAL HA H 3.96 0.02 1 263 488 32 VAL HB H 2.06 0.02 1 264 488 32 VAL HG1 H 0.79 0.02 2 265 488 32 VAL HG2 H 0.92 0.02 2 266 488 32 VAL CA C 62.88 0.25 1 267 488 32 VAL CB C 31.38 0.25 1 268 488 32 VAL CG1 C 22.78 0.25 2 269 488 32 VAL CG2 C 22.29 0.25 2 270 489 33 LYS HA H 4.51 0.02 1 271 489 33 LYS HB2 H 1.82 0.02 2 272 489 33 LYS HB3 H 1.80 0.02 2 273 489 33 LYS HG2 H 1.46 0.02 2 274 489 33 LYS HG3 H 1.37 0.02 2 275 489 33 LYS HD2 H 1.69 0.02 2 276 489 33 LYS HD3 H 1.67 0.02 2 277 489 33 LYS HE2 H 3.00 0.02 2 278 489 33 LYS HE3 H 3.00 0.02 2 279 489 33 LYS CA C 55.67 0.25 1 280 489 33 LYS CB C 34.51 0.25 1 281 489 33 LYS CG C 24.43 0.25 1 282 489 33 LYS CD C 28.66 0.25 1 283 489 33 LYS CE C 41.95 0.25 1 284 490 34 GLY HA2 H 3.98 0.02 2 285 490 34 GLY HA3 H 4.38 0.02 2 286 490 34 GLY CA C 44.38 0.25 1 287 491 35 SER HA H 4.17 0.02 1 288 491 35 SER HB2 H 3.96 0.02 2 289 491 35 SER HB3 H 3.96 0.02 2 290 491 35 SER CA C 61.46 0.25 1 291 491 35 SER CB C 62.76 0.25 1 292 492 36 LYS HA H 4.12 0.02 1 293 492 36 LYS HB2 H 1.96 0.02 2 294 492 36 LYS HB3 H 1.88 0.02 2 295 492 36 LYS HG2 H 1.46 0.02 2 296 492 36 LYS HG3 H 1.58 0.02 2 297 492 36 LYS HD2 H 1.76 0.02 2 298 492 36 LYS HD3 H 1.74 0.02 2 299 492 36 LYS HE2 H 3.04 0.02 2 300 492 36 LYS HE3 H 3.04 0.02 2 301 492 36 LYS CA C 59.83 0.25 1 302 492 36 LYS CB C 31.74 0.25 1 303 492 36 LYS CG C 24.72 0.25 1 304 492 36 LYS CD C 28.98 0.25 1 305 492 36 LYS CE C 41.65 0.25 1 306 493 37 ASP HA H 4.55 0.02 1 307 493 37 ASP HB2 H 2.75 0.02 2 308 493 37 ASP HB3 H 2.73 0.02 2 309 493 37 ASP CA C 56.52 0.25 1 310 493 37 ASP CB C 39.41 0.25 1 311 494 38 LEU HA H 4.08 0.02 1 312 494 38 LEU HB2 H 1.67 0.02 2 313 494 38 LEU HB3 H 1.82 0.02 2 314 494 38 LEU HG H 1.64 0.02 1 315 494 38 LEU HD1 H 0.81 0.02 2 316 494 38 LEU HD2 H 0.69 0.02 2 317 494 38 LEU CA C 58.29 0.25 1 318 494 38 LEU CB C 41.16 0.25 1 319 494 38 LEU CG C 26.62 0.25 1 320 494 38 LEU CD1 C 25.36 0.25 2 321 494 38 LEU CD2 C 24.64 0.25 2 322 495 39 LYS HA H 4.25 0.02 1 323 495 39 LYS HB2 H 2.08 0.02 2 324 495 39 LYS HB3 H 2.09 0.02 2 325 495 39 LYS HG2 H 1.51 0.02 2 326 495 39 LYS HG3 H 1.69 0.02 2 327 495 39 LYS HD2 H 1.77 0.02 2 328 495 39 LYS HD3 H 1.77 0.02 2 329 495 39 LYS HE2 H 3.01 0.02 2 330 495 39 LYS HE3 H 3.01 0.02 2 331 495 39 LYS CA C 59.74 0.25 1 332 495 39 LYS CB C 31.78 0.25 1 333 495 39 LYS CG C 25.26 0.25 1 334 495 39 LYS CD C 29.15 0.25 1 335 495 39 LYS CE C 41.67 0.25 1 336 496 40 GLU HA H 4.16 0.02 1 337 496 40 GLU HB2 H 2.21 0.02 2 338 496 40 GLU HB3 H 2.21 0.02 2 339 496 40 GLU HG2 H 2.46 0.02 2 340 496 40 GLU HG3 H 2.50 0.02 2 341 496 40 GLU CA C 58.85 0.25 1 342 496 40 GLU CB C 28.95 0.25 1 343 496 40 GLU CG C 35.75 0.25 1 344 497 41 PHE HA H 4.27 0.02 1 345 497 41 PHE HB2 H 3.27 0.02 2 346 497 41 PHE HB3 H 3.45 0.02 2 347 497 41 PHE HD1 H 7.16 0.02 3 348 497 41 PHE HD2 H 7.16 0.02 3 349 497 41 PHE HE1 H 7.12 0.02 3 350 497 41 PHE HE2 H 7.12 0.02 3 351 497 41 PHE HZ H 7.33 0.02 1 352 497 41 PHE CA C 61.22 0.25 1 353 497 41 PHE CB C 38.97 0.25 1 354 497 41 PHE CD1 C 132.25 0.25 3 355 497 41 PHE CD2 C 132.25 0.25 3 356 497 41 PHE CE1 C 130.51 0.25 3 357 497 41 PHE CE2 C 130.51 0.25 3 358 497 41 PHE CZ C 129.73 0.25 1 359 498 42 HIS HA H 4.27 0.02 1 360 498 42 HIS HB2 H 3.56 0.02 2 361 498 42 HIS HB3 H 3.34 0.02 2 362 498 42 HIS HD2 H 7.03 0.02 1 363 498 42 HIS HE1 H 7.76 0.02 1 364 498 42 HIS CA C 58.89 0.25 1 365 498 42 HIS CB C 31.30 0.25 1 366 498 42 HIS CD2 C 116.42 0.25 1 367 498 42 HIS CE1 C 138.23 0.25 1 368 499 43 LYS HA H 3.95 0.02 1 369 499 43 LYS HB2 H 1.98 0.02 2 370 499 43 LYS HB3 H 1.99 0.02 2 371 499 43 LYS HG2 H 1.41 0.02 2 372 499 43 LYS HG3 H 1.62 0.02 2 373 499 43 LYS HD2 H 1.72 0.02 2 374 499 43 LYS HD3 H 1.73 0.02 2 375 499 43 LYS HE2 H 2.95 0.02 2 376 499 43 LYS HE3 H 2.94 0.02 2 377 499 43 LYS CA C 59.97 0.25 1 378 499 43 LYS CB C 32.07 0.25 1 379 499 43 LYS CG C 24.89 0.25 1 380 499 43 LYS CD C 29.42 0.25 1 381 499 43 LYS CE C 41.53 0.25 1 382 500 44 MET HA H 4.05 0.02 1 383 500 44 MET HB2 H 2.26 0.02 2 384 500 44 MET HB3 H 2.11 0.02 2 385 500 44 MET HG2 H 2.67 0.02 2 386 500 44 MET HG3 H 2.27 0.02 2 387 500 44 MET HE H 1.49 0.02 1 388 500 44 MET CA C 58.45 0.25 1 389 500 44 MET CB C 30.82 0.25 1 390 500 44 MET CG C 30.86 0.25 1 391 500 44 MET CE C 15.87 0.25 1 392 501 45 LEU HA H 3.87 0.02 1 393 501 45 LEU HB2 H 2.10 0.02 2 394 501 45 LEU HB3 H 1.26 0.02 2 395 501 45 LEU HG H 1.59 0.02 1 396 501 45 LEU HD1 H 0.84 0.02 2 397 501 45 LEU HD2 H 0.97 0.02 2 398 501 45 LEU CA C 57.31 0.25 1 399 501 45 LEU CB C 42.10 0.25 1 400 501 45 LEU CG C 26.66 0.25 1 401 501 45 LEU CD1 C 24.07 0.25 2 402 501 45 LEU CD2 C 27.76 0.25 2 403 502 46 THR HA H 3.74 0.02 1 404 502 46 THR HB H 4.21 0.02 1 405 502 46 THR HG2 H 1.20 0.02 1 406 502 46 THR CA C 66.64 0.25 1 407 502 46 THR CB C 68.39 0.25 1 408 502 46 THR CG2 C 21.23 0.25 1 409 503 47 ALA HA H 4.23 0.02 1 410 503 47 ALA HB H 1.52 0.02 1 411 503 47 ALA CA C 54.81 0.25 1 412 503 47 ALA CB C 17.72 0.25 1 413 504 48 ILE HA H 3.79 0.02 1 414 504 48 ILE HB H 2.10 0.02 1 415 504 48 ILE HG12 H 1.23 0.02 2 416 504 48 ILE HG13 H 1.85 0.02 2 417 504 48 ILE HG2 H 0.94 0.02 1 418 504 48 ILE HD1 H 0.92 0.02 1 419 504 48 ILE CA C 64.80 0.25 1 420 504 48 ILE CB C 38.33 0.25 1 421 504 48 ILE CG1 C 28.66 0.25 1 422 504 48 ILE CG2 C 17.47 0.25 1 423 504 48 ILE CD1 C 14.54 0.25 1 424 505 49 LEU HA H 4.08 0.02 1 425 505 49 LEU HB2 H 1.54 0.02 2 426 505 49 LEU HB3 H 1.86 0.02 2 427 505 49 LEU HG H 1.87 0.02 1 428 505 49 LEU HD1 H 0.89 0.02 2 429 505 49 LEU HD2 H 0.82 0.02 2 430 505 49 LEU CA C 56.86 0.25 1 431 505 49 LEU CB C 40.63 0.25 1 432 505 49 LEU CG C 26.55 0.25 1 433 505 49 LEU CD1 C 22.39 0.25 2 434 505 49 LEU CD2 C 25.54 0.25 2 435 506 50 ALA HA H 4.25 0.02 1 436 506 50 ALA HB H 1.50 0.02 1 437 506 50 ALA CA C 53.27 0.25 1 438 506 50 ALA CB C 18.31 0.25 1 439 507 51 LYS HA H 4.34 0.02 1 440 507 51 LYS HB2 H 1.88 0.02 2 441 507 51 LYS HB3 H 1.97 0.02 2 442 507 51 LYS HG2 H 1.52 0.02 2 443 507 51 LYS HG3 H 1.58 0.02 2 444 507 51 LYS HD2 H 1.72 0.02 2 445 507 51 LYS HD3 H 1.72 0.02 2 446 507 51 LYS HE2 H 3.00 0.02 2 447 507 51 LYS HE3 H 3.01 0.02 2 448 507 51 LYS CA C 55.89 0.25 1 449 507 51 LYS CB C 32.60 0.25 1 450 507 51 LYS CG C 24.77 0.25 1 451 507 51 LYS CD C 28.84 0.25 1 452 507 51 LYS CE C 41.66 0.25 1 453 508 52 GLN HA H 4.57 0.02 1 454 508 52 GLN HB2 H 2.04 0.02 2 455 508 52 GLN HB3 H 2.19 0.02 2 456 508 52 GLN HG2 H 2.51 0.02 2 457 508 52 GLN HG3 H 2.43 0.02 2 458 508 52 GLN CA C 53.32 0.25 1 459 508 52 GLN CB C 28.52 0.25 1 460 508 52 GLN CG C 33.56 0.25 1 461 509 53 PRO HA H 4.27 0.02 1 462 509 53 PRO HB2 H 2.26 0.02 2 463 509 53 PRO HB3 H 1.93 0.02 2 464 509 53 PRO HG2 H 2.03 0.02 2 465 509 53 PRO HG3 H 2.01 0.02 2 466 509 53 PRO HD2 H 3.65 0.02 2 467 509 53 PRO HD3 H 3.79 0.02 2 468 509 53 PRO CA C 64.69 0.25 1 469 509 53 PRO CB C 31.96 0.25 1 470 509 53 PRO CG C 27.20 0.25 1 471 509 53 PRO CD C 50.16 0.25 1 stop_ save_ save_assigned_chemical_shifts_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCA' '3D HNCACB' '3D HN(COCA)CB' '2D NOESY' '3D HBHA(CO)NH' '3D HN(CO)CA' '3D 1H-15N NOESY' '3D HCCH-TOCSY' '2D 1H-13C HSQC aliphatic' '3D 1H-13C NOESY aliphatic' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 457 1 GLY HA2 H 3.92 0.02 1 2 457 1 GLY HA3 H 3.92 0.02 1 3 457 1 GLY CA C 43.33 0.25 1 4 458 2 SER HA H 4.57 0.02 1 5 458 2 SER HB2 H 3.92 0.02 2 6 458 2 SER HB3 H 3.90 0.02 2 7 458 2 SER C C 174.29 0.25 1 8 458 2 SER CA C 58.30 0.25 1 9 458 2 SER CB C 63.99 0.25 1 10 459 3 SER H H 8.66 0.02 1 11 459 3 SER HA H 4.61 0.02 1 12 459 3 SER HB2 H 3.89 0.02 2 13 459 3 SER HB3 H 3.90 0.02 2 14 459 3 SER C C 173.68 0.25 1 15 459 3 SER CA C 57.74 0.25 1 16 459 3 SER CB C 63.59 0.25 1 17 459 3 SER N N 118.52 0.15 1 18 460 4 SER H H 8.08 0.02 1 19 460 4 SER HA H 4.45 0.02 1 20 460 4 SER HB2 H 4.15 0.02 2 21 460 4 SER HB3 H 3.95 0.02 2 22 460 4 SER C C 174.83 0.25 1 23 460 4 SER CA C 57.91 0.25 1 24 460 4 SER CB C 63.98 0.25 1 25 460 4 SER N N 116.78 0.15 1 26 461 5 ARG H H 8.98 0.02 1 27 461 5 ARG HA H 3.73 0.02 1 28 461 5 ARG HB2 H 1.90 0.02 2 29 461 5 ARG HB3 H 1.81 0.02 2 30 461 5 ARG HG2 H 1.53 0.02 2 31 461 5 ARG HG3 H 1.43 0.02 2 32 461 5 ARG HD2 H 3.42 0.02 2 33 461 5 ARG HD3 H 3.14 0.02 2 34 461 5 ARG C C 177.45 0.25 1 35 461 5 ARG CA C 60.51 0.25 1 36 461 5 ARG CB C 30.35 0.25 1 37 461 5 ARG CG C 27.37 0.25 1 38 461 5 ARG CD C 42.81 0.25 1 39 461 5 ARG N N 123.00 0.15 1 40 462 6 SER H H 8.34 0.02 1 41 462 6 SER HA H 4.10 0.02 1 42 462 6 SER HB2 H 3.92 0.02 2 43 462 6 SER HB3 H 3.93 0.02 2 44 462 6 SER C C 177.33 0.25 1 45 462 6 SER CA C 61.38 0.25 1 46 462 6 SER CB C 62.22 0.25 1 47 462 6 SER N N 112.83 0.15 1 48 463 7 VAL H H 7.64 0.02 1 49 463 7 VAL HA H 3.72 0.02 1 50 463 7 VAL HB H 2.19 0.02 1 51 463 7 VAL HG1 H 1.05 0.02 2 52 463 7 VAL HG2 H 0.95 0.02 2 53 463 7 VAL C C 178.46 0.25 1 54 463 7 VAL CA C 66.10 0.25 1 55 463 7 VAL CB C 31.67 0.25 1 56 463 7 VAL CG1 C 22.85 0.25 2 57 463 7 VAL CG2 C 20.59 0.25 2 58 463 7 VAL N N 124.79 0.15 1 59 464 8 ILE H H 8.12 0.02 1 60 464 8 ILE HA H 3.41 0.02 1 61 464 8 ILE HB H 1.77 0.02 1 62 464 8 ILE HG12 H 1.75 0.02 2 63 464 8 ILE HG13 H 0.48 0.02 2 64 464 8 ILE HG2 H 1.00 0.02 1 65 464 8 ILE HD1 H 0.81 0.02 1 66 464 8 ILE C C 177.44 0.25 1 67 464 8 ILE CA C 65.71 0.25 1 68 464 8 ILE CB C 37.58 0.25 1 69 464 8 ILE CG1 C 29.73 0.25 1 70 464 8 ILE CG2 C 19.65 0.25 1 71 464 8 ILE CD1 C 14.84 0.25 1 72 464 8 ILE N N 120.61 0.15 1 73 465 9 ARG H H 8.53 0.02 1 74 465 9 ARG HA H 3.69 0.02 1 75 465 9 ARG HB2 H 1.88 0.02 2 76 465 9 ARG HB3 H 1.86 0.02 2 77 465 9 ARG HG2 H 1.45 0.02 2 78 465 9 ARG HG3 H 1.66 0.02 2 79 465 9 ARG HD2 H 3.20 0.02 2 80 465 9 ARG HD3 H 3.23 0.02 2 81 465 9 ARG C C 177.94 0.25 1 82 465 9 ARG CA C 60.60 0.25 1 83 465 9 ARG CB C 30.03 0.25 1 84 465 9 ARG CG C 28.30 0.25 1 85 465 9 ARG CD C 43.18 0.25 1 86 465 9 ARG N N 119.09 0.15 1 87 466 10 SER H H 7.79 0.02 1 88 466 10 SER HA H 4.24 0.02 1 89 466 10 SER HB2 H 4.06 0.02 2 90 466 10 SER HB3 H 4.08 0.02 2 91 466 10 SER C C 177.02 0.25 1 92 466 10 SER CA C 61.66 0.25 1 93 466 10 SER CB C 62.65 0.25 1 94 466 10 SER N N 113.62 0.15 1 95 467 11 ILE H H 8.23 0.02 1 96 467 11 ILE HA H 3.71 0.02 1 97 467 11 ILE HB H 2.04 0.02 1 98 467 11 ILE HG12 H 1.04 0.02 2 99 467 11 ILE HG13 H 1.88 0.02 2 100 467 11 ILE HG2 H 0.87 0.02 1 101 467 11 ILE HD1 H 0.83 0.02 1 102 467 11 ILE C C 179.06 0.25 1 103 467 11 ILE CA C 65.11 0.25 1 104 467 11 ILE CB C 37.78 0.25 1 105 467 11 ILE CG1 C 28.39 0.25 1 106 467 11 ILE CG2 C 17.73 0.25 1 107 467 11 ILE CD1 C 14.04 0.25 1 108 467 11 ILE N N 124.41 0.15 1 109 468 12 ILE H H 8.12 0.02 1 110 468 12 ILE HA H 3.40 0.02 1 111 468 12 ILE HB H 2.04 0.02 1 112 468 12 ILE HG12 H 2.12 0.02 2 113 468 12 ILE HG13 H 0.83 0.02 2 114 468 12 ILE HG2 H 0.92 0.02 1 115 468 12 ILE HD1 H 0.98 0.02 1 116 468 12 ILE C C 179.84 0.25 1 117 468 12 ILE CA C 66.71 0.25 1 118 468 12 ILE CB C 38.64 0.25 1 119 468 12 ILE CG1 C 30.38 0.25 1 120 468 12 ILE CG2 C 18.00 0.25 1 121 468 12 ILE CD1 C 14.80 0.25 1 122 468 12 ILE N N 118.30 0.15 1 123 469 13 LYS H H 8.61 0.02 1 124 469 13 LYS HA H 3.92 0.02 1 125 469 13 LYS HB2 H 1.98 0.02 2 126 469 13 LYS HB3 H 1.97 0.02 2 127 469 13 LYS HG2 H 1.53 0.02 2 128 469 13 LYS HG3 H 1.76 0.02 2 129 469 13 LYS HD2 H 1.72 0.02 2 130 469 13 LYS HD3 H 1.69 0.02 2 131 469 13 LYS HE2 H 2.96 0.02 2 132 469 13 LYS HE3 H 2.96 0.02 2 133 469 13 LYS C C 178.16 0.25 1 134 469 13 LYS CA C 60.54 0.25 1 135 469 13 LYS CB C 32.20 0.25 1 136 469 13 LYS CG C 26.05 0.25 1 137 469 13 LYS CD C 28.90 0.25 1 138 469 13 LYS CE C 41.57 0.25 1 139 469 13 LYS N N 118.62 0.15 1 140 470 14 SER H H 8.12 0.02 1 141 470 14 SER HA H 4.58 0.02 1 142 470 14 SER HB2 H 4.06 0.02 2 143 470 14 SER HB3 H 4.04 0.02 2 144 470 14 SER C C 174.12 0.25 1 145 470 14 SER CA C 59.00 0.25 1 146 470 14 SER CB C 63.64 0.25 1 147 470 14 SER N N 111.94 0.15 1 148 471 15 SER H H 7.43 0.02 1 149 471 15 SER HA H 4.46 0.02 1 150 471 15 SER HB2 H 4.40 0.02 2 151 471 15 SER HB3 H 4.24 0.02 2 152 471 15 SER HG H 5.23 0.02 1 153 471 15 SER C C 173.53 0.25 1 154 471 15 SER CA C 59.41 0.25 1 155 471 15 SER CB C 65.38 0.25 1 156 471 15 SER N N 117.95 0.15 1 157 472 16 LYS H H 8.99 0.02 1 158 472 16 LYS HA H 4.59 0.02 1 159 472 16 LYS HB2 H 2.16 0.02 2 160 472 16 LYS HB3 H 1.75 0.02 2 161 472 16 LYS HG2 H 1.56 0.02 2 162 472 16 LYS HG3 H 1.49 0.02 2 163 472 16 LYS HD2 H 1.74 0.02 2 164 472 16 LYS HD3 H 1.72 0.02 2 165 472 16 LYS HE2 H 3.04 0.02 2 166 472 16 LYS HE3 H 3.04 0.02 2 167 472 16 LYS C C 176.60 0.25 1 168 472 16 LYS CA C 55.17 0.25 1 169 472 16 LYS CB C 31.28 0.25 1 170 472 16 LYS CG C 24.73 0.25 1 171 472 16 LYS CD C 28.77 0.25 1 172 472 16 LYS CE C 41.91 0.25 1 173 472 16 LYS N N 117.17 0.15 1 174 473 17 LEU H H 7.04 0.02 1 175 473 17 LEU HA H 4.28 0.02 1 176 473 17 LEU HB2 H 1.49 0.02 2 177 473 17 LEU HB3 H 1.52 0.02 2 178 473 17 LEU HG H 1.65 0.02 1 179 473 17 LEU HD1 H 0.77 0.02 2 180 473 17 LEU HD2 H 0.44 0.02 2 181 473 17 LEU C C 176.01 0.25 1 182 473 17 LEU CA C 54.55 0.25 1 183 473 17 LEU CB C 42.67 0.25 1 184 473 17 LEU CG C 26.60 0.25 1 185 473 17 LEU CD1 C 21.54 0.25 2 186 473 17 LEU CD2 C 25.27 0.25 2 187 473 17 LEU N N 118.33 0.15 1 188 474 18 ASN H H 8.95 0.02 1 189 474 18 ASN HA H 4.66 0.02 1 190 474 18 ASN HB2 H 2.99 0.02 2 191 474 18 ASN HB3 H 3.11 0.02 2 192 474 18 ASN HD21 H 7.92 0.02 1 193 474 18 ASN HD22 H 7.19 0.02 1 194 474 18 ASN C C 176.59 0.25 1 195 474 18 ASN CA C 53.25 0.25 1 196 474 18 ASN CB C 38.89 0.25 1 197 474 18 ASN N N 119.00 0.15 1 198 474 18 ASN ND2 N 114.04 0.15 1 199 475 19 ILE H H 8.73 0.02 1 200 475 19 ILE HA H 3.80 0.02 1 201 475 19 ILE HB H 1.98 0.02 1 202 475 19 ILE HG12 H 1.62 0.02 2 203 475 19 ILE HG13 H 1.38 0.02 2 204 475 19 ILE HG2 H 1.03 0.02 1 205 475 19 ILE HD1 H 0.98 0.02 1 206 475 19 ILE C C 176.12 0.25 1 207 475 19 ILE CA C 64.44 0.25 1 208 475 19 ILE CB C 37.97 0.25 1 209 475 19 ILE CG1 C 28.43 0.25 1 210 475 19 ILE CG2 C 17.37 0.25 1 211 475 19 ILE CD1 C 13.56 0.25 1 212 475 19 ILE N N 121.84 0.15 1 213 476 20 ASP H H 8.29 0.02 1 214 476 20 ASP HA H 4.50 0.02 1 215 476 20 ASP HB2 H 2.70 0.02 2 216 476 20 ASP HB3 H 2.73 0.02 2 217 476 20 ASP C C 178.67 0.25 1 218 476 20 ASP CA C 56.92 0.25 1 219 476 20 ASP CB C 39.42 0.25 1 220 476 20 ASP N N 119.11 0.15 1 221 477 21 HIS H H 7.87 0.02 1 222 477 21 HIS HA H 4.77 0.02 1 223 477 21 HIS HB2 H 3.19 0.02 2 224 477 21 HIS HB3 H 3.43 0.02 2 225 477 21 HIS HD2 H 7.17 0.02 1 226 477 21 HIS HE1 H 7.85 0.02 1 227 477 21 HIS C C 178.08 0.25 1 228 477 21 HIS CA C 56.98 0.25 1 229 477 21 HIS CB C 31.99 0.25 1 230 477 21 HIS CD2 C 117.57 0.25 1 231 477 21 HIS CE1 C 137.89 0.25 1 232 477 21 HIS N N 123.62 0.15 1 233 478 22 LYS H H 8.55 0.02 1 234 478 22 LYS HA H 3.64 0.02 1 235 478 22 LYS HB2 H 2.14 0.02 2 236 478 22 LYS HB3 H 1.61 0.02 2 237 478 22 LYS HG2 H 1.02 0.02 2 238 478 22 LYS HG3 H 1.50 0.02 2 239 478 22 LYS HD2 H 1.65 0.02 2 240 478 22 LYS HD3 H 1.58 0.02 2 241 478 22 LYS HE2 H 3.13 0.02 2 242 478 22 LYS HE3 H 3.17 0.02 2 243 478 22 LYS C C 177.83 0.25 1 244 478 22 LYS CA C 61.16 0.25 1 245 478 22 LYS CB C 33.16 0.25 1 246 478 22 LYS CG C 26.88 0.25 1 247 478 22 LYS CD C 30.77 0.25 1 248 478 22 LYS CE C 42.06 0.25 1 249 478 22 LYS N N 118.47 0.15 1 250 479 23 ASP H H 8.39 0.02 1 251 479 23 ASP HA H 4.43 0.02 1 252 479 23 ASP HB2 H 2.81 0.02 2 253 479 23 ASP HB3 H 2.75 0.02 2 254 479 23 ASP C C 178.56 0.25 1 255 479 23 ASP CA C 57.65 0.25 1 256 479 23 ASP CB C 39.83 0.25 1 257 479 23 ASP N N 117.50 0.15 1 258 480 24 TYR H H 7.89 0.02 1 259 480 24 TYR HA H 4.45 0.02 1 260 480 24 TYR HB2 H 3.41 0.02 2 261 480 24 TYR HB3 H 3.39 0.02 2 262 480 24 TYR HD1 H 7.20 0.02 3 263 480 24 TYR HD2 H 7.20 0.02 3 264 480 24 TYR HE1 H 6.87 0.02 3 265 480 24 TYR HE2 H 6.87 0.02 3 266 480 24 TYR C C 177.59 0.25 1 267 480 24 TYR CA C 60.78 0.25 1 268 480 24 TYR CB C 38.30 0.25 1 269 480 24 TYR CD1 C 133.13 0.25 3 270 480 24 TYR CD2 C 133.13 0.25 3 271 480 24 TYR CE1 C 118.25 0.25 3 272 480 24 TYR CE2 C 118.25 0.25 3 273 480 24 TYR N N 120.97 0.15 1 274 481 25 LEU H H 8.35 0.02 1 275 481 25 LEU HA H 4.02 0.02 1 276 481 25 LEU HB2 H 2.19 0.02 2 277 481 25 LEU HB3 H 1.39 0.02 2 278 481 25 LEU HG H 2.06 0.02 1 279 481 25 LEU HD1 H 0.59 0.02 2 280 481 25 LEU HD2 H 0.89 0.02 2 281 481 25 LEU C C 178.99 0.25 1 282 481 25 LEU CA C 57.80 0.25 1 283 481 25 LEU CB C 42.72 0.25 1 284 481 25 LEU CG C 27.23 0.25 1 285 481 25 LEU CD1 C 26.52 0.25 2 286 481 25 LEU CD2 C 22.35 0.25 2 287 481 25 LEU N N 119.53 0.15 1 288 482 26 LEU H H 8.84 0.02 1 289 482 26 LEU HA H 3.98 0.02 1 290 482 26 LEU HB2 H 2.03 0.02 2 291 482 26 LEU HB3 H 1.47 0.02 2 292 482 26 LEU HG H 1.96 0.02 1 293 482 26 LEU HD1 H 0.94 0.02 2 294 482 26 LEU HD2 H 0.93 0.02 2 295 482 26 LEU C C 179.30 0.25 1 296 482 26 LEU CA C 57.82 0.25 1 297 482 26 LEU CB C 40.81 0.25 1 298 482 26 LEU CG C 27.17 0.25 1 299 482 26 LEU CD1 C 24.11 0.25 2 300 482 26 LEU CD2 C 25.45 0.25 2 301 482 26 LEU N N 119.83 0.15 1 302 483 27 ASP H H 8.01 0.02 1 303 483 27 ASP HA H 4.43 0.02 1 304 483 27 ASP HB2 H 2.85 0.02 2 305 483 27 ASP HB3 H 2.68 0.02 2 306 483 27 ASP C C 179.11 0.25 1 307 483 27 ASP CA C 57.14 0.25 1 308 483 27 ASP CB C 40.27 0.25 1 309 483 27 ASP N N 120.92 0.15 1 310 484 28 LEU H H 7.95 0.02 1 311 484 28 LEU HA H 4.02 0.02 1 312 484 28 LEU HB2 H 1.91 0.02 2 313 484 28 LEU HB3 H 1.62 0.02 2 314 484 28 LEU HG H 1.50 0.02 1 315 484 28 LEU HD1 H 0.83 0.02 2 316 484 28 LEU HD2 H 0.81 0.02 2 317 484 28 LEU C C 180.63 0.25 1 318 484 28 LEU CA C 57.49 0.25 1 319 484 28 LEU CB C 42.23 0.25 1 320 484 28 LEU CG C 26.27 0.25 1 321 484 28 LEU CD1 C 22.93 0.25 2 322 484 28 LEU CD2 C 25.02 0.25 2 323 484 28 LEU N N 120.39 0.15 1 324 485 29 LEU H H 8.29 0.02 1 325 485 29 LEU HA H 3.26 0.02 1 326 485 29 LEU HB2 H 1.88 0.02 2 327 485 29 LEU HB3 H 1.08 0.02 2 328 485 29 LEU HG H 1.35 0.02 1 329 485 29 LEU HD1 H 0.27 0.02 2 330 485 29 LEU HD2 H 0.75 0.02 2 331 485 29 LEU C C 178.35 0.25 1 332 485 29 LEU CA C 56.69 0.25 1 333 485 29 LEU CB C 40.82 0.25 1 334 485 29 LEU CG C 26.25 0.25 1 335 485 29 LEU CD1 C 21.93 0.25 2 336 485 29 LEU CD2 C 26.00 0.25 2 337 485 29 LEU N N 120.53 0.15 1 338 486 30 ASN H H 7.51 0.02 1 339 486 30 ASN HA H 4.36 0.02 1 340 486 30 ASN HB2 H 2.90 0.02 2 341 486 30 ASN HB3 H 2.91 0.02 2 342 486 30 ASN HD21 H 6.92 0.02 1 343 486 30 ASN HD22 H 7.92 0.02 1 344 486 30 ASN C C 175.77 0.25 1 345 486 30 ASN CA C 55.18 0.25 1 346 486 30 ASN CB C 38.18 0.25 1 347 486 30 ASN N N 115.58 0.15 1 348 486 30 ASN ND2 N 114.44 0.15 1 349 487 31 ASP H H 7.37 0.02 1 350 487 31 ASP HA H 4.79 0.02 1 351 487 31 ASP HB2 H 2.86 0.02 2 352 487 31 ASP HB3 H 2.62 0.02 2 353 487 31 ASP C C 175.72 0.25 1 354 487 31 ASP CA C 54.18 0.25 1 355 487 31 ASP CB C 41.68 0.25 1 356 487 31 ASP N N 116.74 0.15 1 357 488 32 VAL H H 7.47 0.02 1 358 488 32 VAL HA H 3.97 0.02 1 359 488 32 VAL HB H 2.07 0.02 1 360 488 32 VAL HG1 H 0.79 0.02 2 361 488 32 VAL HG2 H 0.92 0.02 2 362 488 32 VAL C C 176.27 0.25 1 363 488 32 VAL CA C 63.02 0.25 1 364 488 32 VAL CB C 31.47 0.25 1 365 488 32 VAL CG1 C 22.72 0.25 2 366 488 32 VAL CG2 C 22.16 0.25 2 367 488 32 VAL N N 122.25 0.15 1 368 489 33 LYS H H 9.53 0.02 1 369 489 33 LYS HA H 4.53 0.02 1 370 489 33 LYS HB2 H 1.83 0.02 2 371 489 33 LYS HB3 H 1.81 0.02 2 372 489 33 LYS HG2 H 1.46 0.02 2 373 489 33 LYS HG3 H 1.38 0.02 2 374 489 33 LYS HD2 H 1.69 0.02 2 375 489 33 LYS HD3 H 1.66 0.02 2 376 489 33 LYS HE2 H 3.01 0.02 2 377 489 33 LYS HE3 H 3.01 0.02 2 378 489 33 LYS C C 176.15 0.25 1 379 489 33 LYS CA C 55.82 0.25 1 380 489 33 LYS CB C 34.54 0.25 1 381 489 33 LYS CG C 24.36 0.25 1 382 489 33 LYS CD C 28.54 0.25 1 383 489 33 LYS CE C 42.14 0.25 1 384 489 33 LYS N N 129.29 0.15 1 385 490 34 GLY H H 8.45 0.02 1 386 490 34 GLY HA2 H 4.00 0.02 2 387 490 34 GLY HA3 H 4.39 0.02 2 388 490 34 GLY C C 173.60 0.25 1 389 490 34 GLY CA C 44.59 0.25 1 390 490 34 GLY N N 110.61 0.15 1 391 491 35 SER H H 8.53 0.02 1 392 491 35 SER HA H 4.17 0.02 1 393 491 35 SER HB2 H 3.99 0.02 2 394 491 35 SER HB3 H 3.99 0.02 2 395 491 35 SER HG H 4.92 0.02 1 396 491 35 SER C C 176.84 0.25 1 397 491 35 SER CA C 61.55 0.25 1 398 491 35 SER CB C 62.90 0.25 1 399 491 35 SER N N 115.39 0.15 1 400 492 36 LYS H H 8.58 0.02 1 401 492 36 LYS HA H 4.13 0.02 1 402 492 36 LYS HB2 H 1.96 0.02 2 403 492 36 LYS HB3 H 1.91 0.02 2 404 492 36 LYS HG2 H 1.46 0.02 2 405 492 36 LYS HG3 H 1.57 0.02 2 406 492 36 LYS HD2 H 1.76 0.02 2 407 492 36 LYS HD3 H 1.74 0.02 2 408 492 36 LYS HE2 H 3.03 0.02 2 409 492 36 LYS HE3 H 3.04 0.02 2 410 492 36 LYS C C 179.06 0.25 1 411 492 36 LYS CA C 59.95 0.25 1 412 492 36 LYS CB C 31.79 0.25 1 413 492 36 LYS CG C 24.72 0.25 1 414 492 36 LYS CD C 28.98 0.25 1 415 492 36 LYS CE C 41.71 0.25 1 416 492 36 LYS N N 124.03 0.15 1 417 493 37 ASP H H 8.73 0.02 1 418 493 37 ASP HA H 4.56 0.02 1 419 493 37 ASP HB2 H 2.76 0.02 2 420 493 37 ASP HB3 H 2.73 0.02 2 421 493 37 ASP C C 179.94 0.25 1 422 493 37 ASP CA C 56.61 0.25 1 423 493 37 ASP CB C 39.48 0.25 1 424 493 37 ASP N N 120.27 0.15 1 425 494 38 LEU H H 8.36 0.02 1 426 494 38 LEU HA H 4.10 0.02 1 427 494 38 LEU HB2 H 1.66 0.02 2 428 494 38 LEU HB3 H 1.79 0.02 2 429 494 38 LEU HG H 1.63 0.02 1 430 494 38 LEU HD1 H 0.81 0.02 2 431 494 38 LEU HD2 H 0.70 0.02 2 432 494 38 LEU C C 178.28 0.25 1 433 494 38 LEU CA C 58.32 0.25 1 434 494 38 LEU CB C 41.24 0.25 1 435 494 38 LEU CG C 26.63 0.25 1 436 494 38 LEU CD1 C 25.31 0.25 2 437 494 38 LEU CD2 C 24.65 0.25 2 438 494 38 LEU N N 124.20 0.15 1 439 495 39 LYS H H 8.06 0.02 1 440 495 39 LYS HA H 4.26 0.02 1 441 495 39 LYS HB2 H 2.10 0.02 2 442 495 39 LYS HB3 H 2.10 0.02 2 443 495 39 LYS HG2 H 1.51 0.02 2 444 495 39 LYS HG3 H 1.70 0.02 2 445 495 39 LYS HD2 H 1.77 0.02 2 446 495 39 LYS HD3 H 1.77 0.02 2 447 495 39 LYS HE2 H 3.01 0.02 2 448 495 39 LYS HE3 H 3.01 0.02 2 449 495 39 LYS C C 180.05 0.25 1 450 495 39 LYS CA C 59.81 0.25 1 451 495 39 LYS CB C 31.83 0.25 1 452 495 39 LYS CG C 25.26 0.25 1 453 495 39 LYS CD C 29.19 0.25 1 454 495 39 LYS CE C 41.81 0.25 1 455 495 39 LYS N N 120.31 0.15 1 456 496 40 GLU H H 7.98 0.02 1 457 496 40 GLU HA H 4.17 0.02 1 458 496 40 GLU HB2 H 2.23 0.02 2 459 496 40 GLU HB3 H 2.24 0.02 2 460 496 40 GLU HG2 H 2.46 0.02 2 461 496 40 GLU HG3 H 2.50 0.02 2 462 496 40 GLU C C 178.92 0.25 1 463 496 40 GLU CA C 58.94 0.25 1 464 496 40 GLU CB C 29.05 0.25 1 465 496 40 GLU CG C 35.74 0.25 1 466 496 40 GLU N N 119.18 0.15 1 467 497 41 PHE H H 8.56 0.02 1 468 497 41 PHE HA H 4.28 0.02 1 469 497 41 PHE HB2 H 3.26 0.02 2 470 497 41 PHE HB3 H 3.44 0.02 2 471 497 41 PHE HD1 H 7.16 0.02 3 472 497 41 PHE HD2 H 7.16 0.02 3 473 497 41 PHE HE1 H 7.12 0.02 3 474 497 41 PHE HE2 H 7.12 0.02 3 475 497 41 PHE HZ H 7.33 0.02 1 476 497 41 PHE C C 177.26 0.25 1 477 497 41 PHE CA C 61.32 0.25 1 478 497 41 PHE CB C 38.95 0.25 1 479 497 41 PHE CD1 C 132.26 0.25 3 480 497 41 PHE CD2 C 132.26 0.25 3 481 497 41 PHE CE1 C 130.53 0.25 3 482 497 41 PHE CE2 C 130.53 0.25 3 483 497 41 PHE CZ C 129.62 0.25 1 484 497 41 PHE N N 123.28 0.15 1 485 498 42 HIS H H 8.97 0.02 1 486 498 42 HIS HA H 4.27 0.02 1 487 498 42 HIS HB2 H 3.56 0.02 2 488 498 42 HIS HB3 H 3.34 0.02 2 489 498 42 HIS HD2 H 7.04 0.02 1 490 498 42 HIS HE1 H 7.78 0.02 1 491 498 42 HIS C C 177.80 0.25 1 492 498 42 HIS CA C 58.88 0.25 1 493 498 42 HIS CB C 31.32 0.25 1 494 498 42 HIS CD2 C 116.66 0.25 1 495 498 42 HIS CE1 C 138.38 0.25 1 496 498 42 HIS N N 119.82 0.15 1 497 499 43 LYS H H 8.15 0.02 1 498 499 43 LYS HA H 3.97 0.02 1 499 499 43 LYS HB2 H 1.99 0.02 2 500 499 43 LYS HB3 H 2.01 0.02 2 501 499 43 LYS HG2 H 1.41 0.02 2 502 499 43 LYS HG3 H 1.62 0.02 2 503 499 43 LYS HD2 H 1.72 0.02 1 504 499 43 LYS HD3 H 1.72 0.02 1 505 499 43 LYS HE2 H 2.96 0.02 2 506 499 43 LYS HE3 H 2.96 0.02 2 507 499 43 LYS C C 179.02 0.25 1 508 499 43 LYS CA C 60.03 0.25 1 509 499 43 LYS CB C 32.24 0.25 1 510 499 43 LYS CG C 24.91 0.25 1 511 499 43 LYS CD C 29.36 0.25 1 512 499 43 LYS CE C 41.75 0.25 1 513 499 43 LYS N N 120.52 0.15 1 514 500 44 MET H H 7.92 0.02 1 515 500 44 MET HA H 4.07 0.02 1 516 500 44 MET HB2 H 2.27 0.02 2 517 500 44 MET HB3 H 2.11 0.02 2 518 500 44 MET HG2 H 2.68 0.02 2 519 500 44 MET HG3 H 2.29 0.02 2 520 500 44 MET HE H 1.50 0.02 1 521 500 44 MET C C 178.20 0.25 1 522 500 44 MET CA C 58.54 0.25 1 523 500 44 MET CB C 30.94 0.25 1 524 500 44 MET CG C 30.88 0.25 1 525 500 44 MET CE C 16.06 0.25 1 526 500 44 MET N N 121.83 0.15 1 527 501 45 LEU H H 8.69 0.02 1 528 501 45 LEU HA H 3.87 0.02 1 529 501 45 LEU HB2 H 2.14 0.02 2 530 501 45 LEU HB3 H 1.27 0.02 2 531 501 45 LEU HG H 1.59 0.02 1 532 501 45 LEU HD1 H 0.84 0.02 2 533 501 45 LEU HD2 H 0.97 0.02 2 534 501 45 LEU C C 177.94 0.25 1 535 501 45 LEU CA C 57.41 0.25 1 536 501 45 LEU CB C 42.10 0.25 1 537 501 45 LEU CG C 26.68 0.25 1 538 501 45 LEU CD1 C 24.03 0.25 2 539 501 45 LEU CD2 C 27.71 0.25 2 540 501 45 LEU N N 121.42 0.15 1 541 502 46 THR H H 8.73 0.02 1 542 502 46 THR HA H 3.76 0.02 1 543 502 46 THR HB H 4.22 0.02 1 544 502 46 THR HG2 H 1.20 0.02 1 545 502 46 THR C C 176.33 0.25 1 546 502 46 THR CA C 66.67 0.25 1 547 502 46 THR CB C 68.60 0.25 1 548 502 46 THR CG2 C 21.41 0.25 1 549 502 46 THR N N 115.00 0.15 1 550 503 47 ALA H H 7.47 0.02 1 551 503 47 ALA HA H 4.25 0.02 1 552 503 47 ALA HB H 1.53 0.02 1 553 503 47 ALA C C 180.34 0.25 1 554 503 47 ALA CA C 54.94 0.25 1 555 503 47 ALA CB C 17.78 0.25 1 556 503 47 ALA N N 123.10 0.15 1 557 504 48 ILE H H 7.93 0.02 1 558 504 48 ILE HA H 3.79 0.02 1 559 504 48 ILE HB H 2.10 0.02 1 560 504 48 ILE HG12 H 1.24 0.02 2 561 504 48 ILE HG13 H 1.85 0.02 2 562 504 48 ILE HG2 H 0.94 0.02 1 563 504 48 ILE HD1 H 0.92 0.02 1 564 504 48 ILE C C 179.27 0.25 1 565 504 48 ILE CA C 64.96 0.25 1 566 504 48 ILE CB C 38.39 0.25 1 567 504 48 ILE CG1 C 28.70 0.25 1 568 504 48 ILE CG2 C 17.41 0.25 1 569 504 48 ILE CD1 C 14.53 0.25 1 570 504 48 ILE N N 119.58 0.15 1 571 505 49 LEU H H 8.37 0.02 1 572 505 49 LEU HA H 4.09 0.02 1 573 505 49 LEU HB2 H 1.56 0.02 2 574 505 49 LEU HB3 H 1.88 0.02 2 575 505 49 LEU HG H 1.87 0.02 1 576 505 49 LEU HD1 H 0.89 0.02 2 577 505 49 LEU HD2 H 0.82 0.02 2 578 505 49 LEU C C 178.74 0.25 1 579 505 49 LEU CA C 56.89 0.25 1 580 505 49 LEU CB C 40.66 0.25 1 581 505 49 LEU CG C 26.61 0.25 1 582 505 49 LEU CD1 C 22.37 0.25 2 583 505 49 LEU CD2 C 25.54 0.25 2 584 505 49 LEU N N 118.90 0.15 1 585 506 50 ALA H H 7.74 0.02 1 586 506 50 ALA HA H 4.26 0.02 1 587 506 50 ALA HB H 1.52 0.02 1 588 506 50 ALA C C 178.09 0.25 1 589 506 50 ALA CA C 53.33 0.25 1 590 506 50 ALA CB C 18.49 0.25 1 591 506 50 ALA N N 120.43 0.15 1 592 507 51 LYS H H 7.41 0.02 1 593 507 51 LYS HA H 4.35 0.02 1 594 507 51 LYS HB2 H 1.91 0.02 2 595 507 51 LYS HB3 H 1.98 0.02 2 596 507 51 LYS HG2 H 1.52 0.02 2 597 507 51 LYS HG3 H 1.58 0.02 2 598 507 51 LYS HD2 H 1.72 0.02 2 599 507 51 LYS HD3 H 1.72 0.02 2 600 507 51 LYS HE2 H 3.00 0.02 2 601 507 51 LYS HE3 H 3.01 0.02 2 602 507 51 LYS C C 176.27 0.25 1 603 507 51 LYS CA C 56.00 0.25 1 604 507 51 LYS CB C 32.65 0.25 1 605 507 51 LYS CG C 24.77 0.25 1 606 507 51 LYS CD C 28.78 0.25 1 607 507 51 LYS CE C 41.66 0.25 1 608 507 51 LYS N N 116.73 0.15 1 609 508 52 GLN H H 7.83 0.02 1 610 508 52 GLN HA H 4.59 0.02 1 611 508 52 GLN HB2 H 2.04 0.02 2 612 508 52 GLN HB3 H 2.21 0.02 2 613 508 52 GLN HG2 H 2.51 0.02 2 614 508 52 GLN HG3 H 2.44 0.02 2 615 508 52 GLN HE21 H 7.01 0.02 1 616 508 52 GLN HE22 H 7.71 0.02 1 617 508 52 GLN CA C 53.38 0.25 1 618 508 52 GLN CB C 28.62 0.25 1 619 508 52 GLN CG C 33.63 0.25 1 620 508 52 GLN N N 121.80 0.15 1 621 508 52 GLN NE2 N 113.47 0.15 1 622 509 53 PRO HA H 4.28 0.02 1 623 509 53 PRO HB2 H 2.26 0.02 2 624 509 53 PRO HB3 H 1.93 0.02 2 625 509 53 PRO HG2 H 2.03 0.02 2 626 509 53 PRO HG3 H 2.01 0.02 2 627 509 53 PRO HD2 H 3.66 0.02 2 628 509 53 PRO HD3 H 3.80 0.02 2 629 509 53 PRO CA C 64.63 0.25 1 630 509 53 PRO CB C 31.91 0.25 1 631 509 53 PRO CG C 27.26 0.25 1 632 509 53 PRO CD C 50.20 0.25 1 stop_ save_